Marvin 03291116512D 69 73 0 0 1 0 999 V2000 12.6500 -8.3951 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9354 -7.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2208 -8.3951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2208 -9.2197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9354 -9.6321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6500 -9.2197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5335 -7.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5610 -9.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9354 -10.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3646 -9.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8189 -8.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9458 -11.0613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2586 -10.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9458 -11.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6330 -11.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5440 -11.0613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2586 -12.2983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3202 -11.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5440 -11.8859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2586 -13.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8294 -12.2983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8294 -13.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0872 -13.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5440 -13.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6581 -12.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5356 -10.1766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3645 -7.9824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2230 -6.3057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5085 -6.7456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5085 -7.5701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7936 -6.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7936 -7.9824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2230 -7.9824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0790 -6.7456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0790 -7.5701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7936 -8.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2230 -8.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3645 -6.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9376 -9.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5085 -9.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6773 -6.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9376 -4.2431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9376 -5.0681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2230 -3.8306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2230 -5.4806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5085 -4.2431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5085 -5.0681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6520 -3.8306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6520 -5.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4362 -5.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7940 -3.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8271 -10.6529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1179 -11.0733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3611 -10.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -11.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8271 -9.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1037 -11.9122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7940 -3.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9676 -5.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1112 -4.8073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3967 -5.2197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1112 -3.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6822 -4.8070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3968 -3.5696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6823 -3.9821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3966 -6.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9678 -3.5694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3968 -2.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6824 -2.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 3 7 1 1 0 0 0 4 8 1 1 0 0 0 5 9 1 1 0 0 0 6 10 1 6 0 0 0 7 11 1 0 0 0 0 12 13 1 0 0 0 0 12 9 1 6 0 0 0 12 14 1 0 0 0 0 12 15 1 1 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 6 0 0 0 17 19 1 0 0 0 0 19 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 15 25 2 0 0 0 0 16 26 1 1 0 0 0 1 27 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 6 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 1 0 0 0 33 37 1 0 0 0 0 34 38 1 1 0 0 0 35 27 1 6 0 0 0 37 39 1 0 0 0 0 37 40 2 0 0 0 0 34 35 1 0 0 0 0 38 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 46 47 1 0 0 0 0 42 48 1 1 0 0 0 43 49 1 6 0 0 0 45 28 1 1 0 0 0 47 50 1 1 0 0 0 46 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 52 56 1 1 0 0 0 53 57 1 6 0 0 0 52 16 1 0 0 0 0 51 58 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 61 63 1 0 0 0 0 62 64 1 0 0 0 0 63 65 1 0 0 0 0 64 65 1 0 0 0 0 60 50 1 1 0 0 0 61 66 1 6 0 0 0 63 59 1 1 0 0 0 65 67 1 6 0 0 0 64 68 1 1 0 0 0 69 68 1 0 0 0 0 M END > CHEBI:61712 > alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-Glcp-(1->4)]-beta-D-Galp > An amino pentasaccharide consisting of β-D-galactose at the reducing end having a β-D-glucosyl residue at the 4-position and an N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosyl moiety at the 3-position. > 3 > Streptococcal polysaccharide Ia group B; N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[beta-D-glucosyl-(1->4)]-beta-D-galactose; alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[beta-D-Glc-(1->4)]-beta-D-Gal; 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulonosyl-(2->3)-beta-D-galactosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucosyl-(1->3)-[beta-D-glucosyl-(1->4)]-beta-D-galactose > 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->4)]-beta-D-galactopyranose > C37H62N2O29 > 998.88420 > 998.34382 > 0 > [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO > InChI=1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,67-29(17)19(49)12(48)4-40)68-30-21(51)14(6-42)62-35(26(30)56)64-27-15(7-43)63-33(18(22(27)52)39-10(2)46)66-31-25(55)32(57)60-16(8-44)28(31)65-34-24(54)23(53)20(50)13(5-41)61-34/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22+,23-,24+,25+,26+,27+,28-,29+,30-,31+,32+,33-,34-,35-,37-/m0/s1 > JTFSWAXKFBZNJE-IXANPYFWSA-N > 84280-28-4 > 84280-28-4 > 32274071; 3934276 $$$$